2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C19H31N3OS — CID 126770959

IUPAC2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(CC3CCCC3)CC2)s1
InChIInChI=1S/C19H31N3OS/c1-19(2,3)18-20-12-16(24-18)17(23)21-15-8-10-22(11-9-15)13-14-6-4-5-7-14/h12,14-15H,4-11,13H2,1-3H3,(H,21,23)
InChIKeyLLFXLMARPMFXCV-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.83
Rot. Bonds4

About 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126770959) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID126770959
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(CC3CCCC3)CC2)s1
InChIInChI=1S/C19H31N3OS/c1-19(2,3)18-20-12-16(24-18)17(23)21-15-8-10-22(11-9-15)13-14-6-4-5-7-14/h12,14-15H,4-11,13H2,1-3H3,(H,21,23)
InChIKeyLLFXLMARPMFXCV-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 111460360
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258
2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
N-[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pentanamide
CID 47724813
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611
N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-pyrimidin-2-ylacetamide
CID 18922107
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891667
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 126770959) is 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NC2CCN(CC3CCCC3)CC2)s1.
What is the InChIKey of 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LLFXLMARPMFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-19(2,3)18-20-12-16(24-18)17(23)21-15-8-10-22(11-9-15)13-14-6-4-5-7-14/h12,14-15H,4-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 349.54 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126770959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).